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Merge branch 'develop' into add-error-explanations

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This commit is contained in:
Axel Kohlmeyer
2025-03-12 11:39:13 -04:00
parent ebf6ba36bf 4246fab500
commit 508eeddf87
99 changed files with 5174 additions and 627 deletions
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6
src/compute_pe.cpp
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@ -35,8 +35,8 @@ using namespace LAMMPS_NS;
ComputePE::ComputePE(LAMMPS *lmp, int narg, char **arg) : Compute(lmp, narg, arg)
{
if (narg < 3) error->all(FLERR, "Illegal compute pe command");
if (igroup) error->all(FLERR, "Compute pe must use group all");
if (narg < 3) utils::missing_cmd_args(FLERR, "compute pe", error);
if (igroup) error->all(FLERR, 1, "Compute pe must use group all");
scalar_flag = 1;
extscalar = 1;
@ -70,7 +70,7 @@ ComputePE::ComputePE(LAMMPS *lmp, int narg, char **arg) : Compute(lmp, narg, arg
else if (strcmp(arg[iarg], "fix") == 0)
fixflag = 1;
else
error->all(FLERR, "Illegal compute pe command");
error->all(FLERR, iarg, "Unknown compute pe keyword {}", arg[iarg]);
iarg++;
}
}